Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_t21bffedf66nvlijeg31da7tv5, O_RDWR) failed: No such file or directory (2) in /domains/zinc12/htdocs/lib/zinc/user/ZincAuthentication.php on line 109

Warning: session_write_close() [function.session-write-close]: Failed to write session data (files). Please verify that the current setting of session.save_path is correct (/tmp/session) in /domains/zinc12/htdocs/lib/zinc/user/ZincAuthentication.php on line 109
Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,2-dimethylpropyl)-2-[(1S)-1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl]sulfanyl-pyridine-3-carboxamid N-(2,2-dimethylpropyl)-2-[(1S)-1…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.60 7.69 -18.2 1 5 0 62 349.5 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,2-dimethylpropyl)-2-[(1R)-1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl]sulfanyl-pyridine-3-carboxamid N-(2,2-dimethylpropyl)-2-[(1R)-1…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.60 7.73 -18.13 1 5 0 62 349.5 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methoxy-N-methyl-2-[(1S)-1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl]sulfanyl-pyridine-3-carboxamide N-methoxy-N-methyl-2-[(1S)-1-met…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.10 6.46 -16.75 0 6 0 63 323.418 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methoxy-N-methyl-2-[(1R)-1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl]sulfanyl-pyridine-3-carboxamide N-methoxy-N-methyl-2-[(1R)-1-met…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.10 6.5 -16.51 0 6 0 63 323.418 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanylpyridine-4-carboxylic 2-(2-oxo-2-pyrrolidin-1-yl-ethyl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.25 6.14 -50.88 0 5 -1 73 265.314 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(3-amino-2-pyridyl)sulfanyl]-1-pyrrolidin-1-yl-propan-1-one (2S)-2-[(3-amino-2-pyridyl)sulfa…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.19 4.3 -10.02 2 4 0 59 251.355 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(3-amino-2-pyridyl)sulfanyl]-1-pyrrolidin-1-yl-propan-1-one (2R)-2-[(3-amino-2-pyridyl)sulfa…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.19 4.34 -10.04 2 4 0 59 251.355 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3-amino-2-pyridyl)sulfanyl]-1-pyrrolidin-1-yl-ethanone 2-[(3-amino-2-pyridyl)sulfanyl]-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.82 3.54 -10.05 2 4 0 59 237.328 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(5-amino-2-pyridyl)sulfanyl]-1-pyrrolidin-1-yl-propan-1-one (2S)-2-[(5-amino-2-pyridyl)sulfa…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.41 4.23 -10.71 2 4 0 59 251.355 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(5-amino-2-pyridyl)sulfanyl]-1-pyrrolidin-1-yl-propan-1-one (2R)-2-[(5-amino-2-pyridyl)sulfa…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.41 4.27 -10.6 2 4 0 59 251.355 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5-amino-2-pyridyl)sulfanyl]-1-pyrrolidin-1-yl-ethanone 2-[(5-amino-2-pyridyl)sulfanyl]-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.04 3.46 -10.6 2 4 0 59 237.328 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4,6-dimethyl-2-[(1S)-1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl]sulfanyl-pyridine-3-carboxylic 4,6-dimethyl-2-[(1S)-1-methyl-2-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.09 8.16 -65.09 0 5 -1 73 307.395 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4,6-dimethyl-2-[(1R)-1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl]sulfanyl-pyridine-3-carboxylic 4,6-dimethyl-2-[(1R)-1-methyl-2-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.09 8.2 -64.82 0 5 -1 73 307.395 4 ↓

Analogs

217942
217942

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanylpyridine-3-carboxylic 6-(2-oxo-2-pyrrolidin-1-yl-ethyl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.97 6.12 -46.83 0 5 -1 73 265.314 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(1S)-1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl]sulfanylpyridine-3-carboxylic 6-[(1S)-1-methyl-2-oxo-2-pyrroli…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.33 6.88 -46.69 0 5 -1 73 279.341 4 ↓

Analogs

34937319
34937319
34937320
34937320

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(1R)-1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl]sulfanylpyridine-3-carboxylic 6-[(1R)-1-methyl-2-oxo-2-pyrroli…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.33 6.93 -46.61 0 5 -1 73 279.341 4 ↓

Parameters Provided:

ring.id = 207180
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 207180 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=207180&filter.purchasability=annotated

Embed Link to Results